SCHEMBL163857

SCHEMBL163857

CCCNC(=O)c1cc([O])on1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
RAB9A P51151 11/20 0.57
NPC1 O15118 10/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
LMNA P02545 4/20 0.57
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
POLB P06746 2/20 0.57
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.48
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL164034 0.90 NPC1 (0.59) TP53RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL161857 0.86 RAB9A (0.49) TP53RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL828143 0.83 POLB (0.61) TP53RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL159824 0.78 RAB9A (0.64) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL162398 0.76 MAPT (0.43) TP53RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12349834 0.75 TP53 (0.78) TP53RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL164699 0.73 RAB9A (0.58) TP53RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6360480 0.73 ALDH1A1 (0.72) TP53RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL17117168 0.73 NPC1 (1.00) TP53RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19064377 0.72 RAB9A (0.54) TP53RAB9ANPC1SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TP53 2226/4885RAB9A 3460/4885NPC1 1201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.